| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:34:25 UTC |
|---|
| Update Date | 2025-03-21 17:56:37 UTC |
|---|
| HMDB ID | HMDB0247909 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002448 |
|---|
| Name | Acetoacetaldehyde |
|---|
| Frequency | 2474.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H6O2 |
|---|
| Molecular Mass | 86.0368 |
|---|
| SMILES | CC(=O)CC=O |
|---|
| InChI Key | PKQIDSVLSKFZQC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta ketoaldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesketonesorganic oxidesshort-chain aldehydes |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxideshort-chain aldehydealpha-hydrogen aldehydebeta-ketoaldehydehydrocarbon derivative |
|---|
